3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine

C15H18FN3 — CID 163253956

IUPAC3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1cc(C2CC3CNCC3C2)c2cc(F)cnc21
InChIInChI=1S/C15H18FN3/c1-19-8-14(13-4-12(16)7-18-15(13)19)9-2-10-5-17-6-11(10)3-9/h4,7-11,17H,2-3,5-6H2,1H3
InChIKeyNGHSCZYEZJXIJZ-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.43
Rot. Bonds1

About 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine

3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine (PubChem CID 163253956) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine
PubChem CID163253956
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1cc(C2CC3CNCC3C2)c2cc(F)cnc21
InChIInChI=1S/C15H18FN3/c1-19-8-14(13-4-12(16)7-18-15(13)19)9-2-10-5-17-6-11(10)3-9/h4,7-11,17H,2-3,5-6H2,1H3
InChIKeyNGHSCZYEZJXIJZ-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine (CID 163253956) is 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine is Cn1cc(C2CC3CNCC3C2)c2cc(F)cnc21.
What is the InChIKey of 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine?
The InChIKey is NGHSCZYEZJXIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-19-8-14(13-4-12(16)7-18-15(13)19)9-2-10-5-17-6-11(10)3-9/h4,7-11,17H,2-3,5-6H2,1H3.
What are the key properties of 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine?
3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 259.33 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 163253956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).